UCSF

ZINC35136056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.47 5.03 -104.71 4 4 2 50 243.395 5
Hi High (pH 8-9.5) 1.47 3.86 -36.73 3 4 1 46 242.387 5
Mid Mid (pH 6-8) 1.47 2.83 -40.17 3 4 1 49 242.387 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )